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Home > Imidazoles > 813462-49-6
813462-49-6 | 1H-Imidazole-4-carbonitrile, 2-nitro- (9CI)
CAS No: 813462-49-6 Catalog No: AG00GDJS MDL No:
Product Description
Catalog Number:
AG00GDJS
Chemical Name:
1H-Imidazole-4-carbonitrile, 2-nitro- (9CI)
CAS Number:
813462-49-6
IUPAC Name:
2-nitro-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C4H2N4O2/c5-1-3-2-6-4(7-3)8(9)10/h2H,(H,6,7)
InChI Key:
DHPPCPYDJCEMGF-UHFFFAOYSA-N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.018g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.086g/mol
Monoisotopic Mass:
138.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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